Bcr-abl inhibitor GNF-2

Ligand id: 5935

Name: Bcr-abl inhibitor GNF-2

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 90.13
Molecular weight 374.1
XLogP 4.54
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide
Synonyms
GNF 2 | GNF-2
Database Links
CAS Registry No. 778270-11-4
ChEMBL Ligand CHEMBL483847
GtoPdb PubChem SID 178102558
PubChem CID 5311510
RCSB PDB Ligand STJ
Search Google for chemical match using the InChIKey WEVYNIUIFUYDGI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WEVYNIUIFUYDGI
Search UniChem for chemical match using the InChIKey WEVYNIUIFUYDGI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WEVYNIUIFUYDGI
Comments
GNF-2 is a highly selective non-ATP competitive inhibitor of Bcr-Abl [1]. It acts as a negative allosteric modulator, binding to a site distant from the ATP pocket.